N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide

C17H20N2O3 — CID 110005966

IUPACN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C/C(N)=N/OCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-16-8-6-13(7-9-16)10-17(18)19-22-12-15-4-2-14(11-20)3-5-15/h2-9,20H,10-12H2,1H3,(H2,18,19)
InChIKeyHPZTYEIBJCPSSV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds7

About N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide

N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide (PubChem CID 110005966) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
PubChem CID110005966
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide
SMILESCOc1ccc(C/C(N)=N/OCc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-21-16-8-6-13(7-9-16)10-17(18)19-22-12-15-4-2-14(11-20)3-5-15/h2-9,20H,10-12H2,1H3,(H2,18,19)
InChIKeyHPZTYEIBJCPSSV-UHFFFAOYSA-N
XLogP2.22
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)methoxy]guanidine
CID 3601250
(4-methoxyphenyl)methanol
CID 7738
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
CID 123560154
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
2-(4-methoxyphenyl)-N'-(oxolan-3-yloxy)ethanimidamide
CID 126798579
(4-methoxyphenyl)methanol;nitric acid
CID 71402449
[4-(hydroxymethyl)phenyl]methyl N'-(4-methoxyphenyl)carbamimidothioate
CID 110004688

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide?
The IUPAC name of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide (CID 110005966) is N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide.
What is the SMILES notation for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide?
The canonical SMILES for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide is COc1ccc(C/C(N)=N/OCc2ccc(CO)cc2)cc1.
What is the InChIKey of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide?
The InChIKey is HPZTYEIBJCPSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-21-16-8-6-13(7-9-16)10-17(18)19-22-12-15-4-2-14(11-20)3-5-15/h2-9,20H,10-12H2,1H3,(H2,18,19).
What are the key properties of N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide?
N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide has a molecular weight of 300.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(hydroxymethyl)phenyl]methoxy]-2-(4-methoxyphenyl)ethanimidamide is sourced from PubChem (CID 110005966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).